sodium (2S)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-(3-phenylpropanoylamino)hexanoate

Systemtic Name: sodium (2S)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-(3-phenylpropanoylamino)hexanoate Openeye Name: sodium (2S)-2-[isobutyl(p-tolylsulfonyl)amino]-6-(3-phenylpropanoylamino)hexanoate CAS Name: sodium (2S)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-[(1-oxo-3-phenylpropyl)amino]hexanoate IUPAC Name: sodium (2S)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-(3-phenylpropanoylamino)hexanoate Traditional Name: sodium (2S)-6-(hydrocinnamoylamino)-2-[isobutyl(tosyl)amino]hexanoate Formula: C26H35N2NaO5S MolecularWeight: 510.62127

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)C(CCCCNC(=O)CCC2=CC=CC=C2)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)CCC2=CC=CC=C2)C(=O)[O-].[Na+]

InChI

InChI=1S/C26H36N2O5S.Na/c1-20(2)19-28(34(32,33)23-15-12-21(3)13-16-23)24(26(30)31)11-7-8-18-27-25(29)17-14-22-9-5-4-6-10-22;/h4-6,9-10,12-13,15-16,20,24H,7-8,11,14,17-19H2,1-3H3,(H,27,29)(H,30,31);/q;+1/p-1/t24-;/m0./s1